Research Articles
Quantum Computing: The New Ally for Chemical and Biochemical Engineers
Explore how quantum computing is revolutionizing molecular simulation, catalyst design, and drug discovery in chemical and biochemical engineering.
The Invisible Dance of Metals: How Computers Simulate Nature's Architects
Exploring the challenges and advancements in computational modeling of metal ions in molecular simulations.
The Molecular Lego Kit: How a Simple Equation is Powering the Future of Simulation
Discover how the SAFT-γ equation of state is revolutionizing molecular simulations by providing accurate force-field parameters for coarse-grained models.
Machine Learning Force Fields: Recent Advances and Remaining Challenges
Exploring how machine learning force fields are revolutionizing molecular simulation by combining quantum accuracy with computational efficiency
The Quantum Information Science Challenge for Chemistry: How Quantum Computers Will Revolutionize Molecular Design
Explore how quantum computing is poised to revolutionize chemistry by solving molecular simulation challenges that stump classical computers.
Beyond the Lab Bench: How Computational Chemistry is Decoding Nature's Blueprints
Explore how computational chemistry uses computer simulations and AI to predict molecular behavior and accelerate scientific discovery.
Quantum Leaps: How Quantum Computers Are Revolutionizing Chemistry
Explore how quantum computing is transforming chemistry through molecular simulation, drug discovery, and materials science with unprecedented computational power.
The Digital Lab Coat: How MoSGrid is Powering a Revolution in Molecular Science
Discover how MoSGrid, a molecular simulation grid, is revolutionizing computational chemistry, biology and material science by providing supercomputing power to researchers worldwide.
MoSGrid: Democratizing Molecular Simulations for Scientific Discovery
Explore how MoSGrid Science Gateway revolutionizes molecular simulations by making advanced computational tools accessible to researchers of all technical backgrounds.
Why Chemists Are Racing Toward Quantum Computers: The Molecular Revolution
Exploring how quantum computers are revolutionizing chemistry by solving molecular simulation problems that stump classical computers